#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ri9 n LYS 8 N 0.00 0.05 0.30 5.31 5.02 -1.26 -2.70 118.16 124.87 1ri9 n LYS 8 Ca 0.00 0.19 0.16 0.00 -2.02 0.00 0.00 58.31 56.64 1ri9 n LYS 8 Cb 0.00 -1.57 0.94 0.00 -0.02 0.00 0.00 35.03 34.38 1ri9 n LYS 8 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1ri9 h GLU 9 N 0.00 0.00 -0.79 1.97 4.57 -1.95 -1.29 114.58 117.10 1ri9 h GLU 9 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ri9 h GLU 9 Cb 0.38 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 1ri9 h GLU 9 CO 0.00 0.01 0.49 1.49 -1.18 0.00 0.00 179.01 179.82 1ri9 h GLU 10 N 0.00 1.07 -0.02 1.92 4.22 -1.36 0.57 114.58 120.97 1ri9 h GLU 10 Ca -0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 59.36 59.32 1ri9 h GLU 10 Cb 0.03 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1ri9 h GLU 10 CO 0.00 0.74 -0.09 0.87 -2.18 0.00 0.00 179.01 178.35 1ri9 h LYS 11 N 1.08 0.10 -0.17 1.92 1.79 -1.49 -3.03 116.57 116.78 1ri9 h LYS 11 Ca 0.29 -0.08 0.05 0.00 -2.18 0.00 0.00 60.65 58.72 1ri9 h LYS 11 Cb -0.06 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 1ri9 h LYS 11 CO -0.06 0.73 0.13 0.22 -1.08 0.00 0.00 179.45 179.39 1ri9 h ASP 12 N -0.50 0.00 -0.33 0.86 1.82 -1.22 -1.20 116.42 115.85 1ri9 h ASP 12 Ca -0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1ri9 h ASP 12 Cb 0.74 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.74 1ri9 h ASP 12 CO 0.02 0.00 0.16 0.15 -1.61 0.00 0.00 179.24 177.96 1ri9 h PHE 13 N 0.00 0.48 -0.07 0.28 3.04 0.26 -2.12 116.94 118.81 1ri9 h PHE 13 Ca 0.08 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.03 1ri9 h PHE 13 Cb 0.34 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.70 1ri9 h PHE 13 CO 0.00 0.43 0.05 -0.09 -2.02 0.00 0.00 178.31 176.68 1ri9 h ARG 14 N 0.40 0.00 0.44 1.11 2.43 -1.11 2.37 114.38 120.01 1ri9 h ARG 14 Ca 0.11 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1ri9 h ARG 14 Cb 0.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1ri9 h ARG 14 CO -0.01 0.00 -0.51 0.87 -1.51 0.00 0.00 179.97 178.81 1ri9 h LYS 15 N 0.00 -0.92 0.08 0.20 6.56 -1.19 1.04 116.57 122.34 1ri9 h LYS 15 Ca 0.03 0.06 -0.27 0.00 -1.06 0.00 0.00 60.65 59.41 1ri9 h LYS 15 Cb 0.14 0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.00 1ri9 h LYS 15 CO -0.00 -0.62 -1.35 -0.22 -2.06 0.00 0.00 179.45 175.20 1ri9 h LYS 16 N -0.96 0.18 -0.96 3.15 1.63 -1.44 -3.25 116.57 114.91 1ri9 h LYS 16 Ca -0.05 -0.30 -0.19 0.00 -0.85 0.00 0.00 60.65 59.26 1ri9 h LYS 16 Cb 0.85 0.11 -0.11 0.00 -0.60 0.00 0.00 32.23 32.48 1ri9 h LYS 16 CO -0.10 1.06 0.24 1.19 -3.45 0.00 0.00 179.45 178.38 1ri9 n PHE 17 N -3.41 1.29 0.00 1.91 3.01 0.79 -4.61 117.46 116.44 1ri9 n PHE 17 Ca -0.11 -0.95 0.00 0.00 1.01 0.00 0.00 57.45 57.41 1ri9 n PHE 17 Cb 1.02 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1ri9 n PHE 17 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1ri9 n LYS 18 N -0.13 0.00 -1.91 -1.08 0.00 0.36 -4.41 118.16 110.98 1ri9 n LYS 18 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 58.13 1ri9 n LYS 18 Cb 0.96 -0.86 -0.03 0.00 0.00 0.00 0.00 35.03 35.10 1ri9 n LYS 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1ri9 s TYR 19 N -0.23 2.11 -0.58 5.64 5.04 -1.26 -4.95 117.35 123.12 1ri9 s TYR 19 Ca 0.00 0.16 -0.14 0.00 -2.44 0.00 0.00 57.07 54.65 1ri9 s TYR 19 Cb 0.00 -3.99 0.14 0.00 0.35 0.00 0.00 41.96 38.46 1ri9 s TYR 19 CO 0.00 -4.12 0.52 -0.51 -1.34 0.00 0.00 175.55 170.10 1ri9 s ASP 20 N 2.99 6.17 0.00 4.32 1.11 -1.26 -5.00 116.67 125.01 1ri9 s ASP 20 Ca 0.76 -2.00 -0.00 0.00 0.18 0.00 0.00 52.55 51.48 1ri9 s ASP 20 Cb -0.38 -2.16 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1ri9 s ASP 20 CO 0.33 -0.76 0.00 0.61 1.18 0.00 0.00 175.17 176.52 1ri9 n GLY 21 N 4.91 3.13 3.31 0.21 0.00 -1.26 -5.11 105.19 110.38 1ri9 n GLY 21 Ca -0.07 -1.37 -0.46 0.00 0.00 0.00 0.00 46.02 44.11 1ri9 n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ri9 s GLU 22 N -2.00 3.37 -0.37 1.61 2.12 -1.26 -5.01 118.70 117.16 1ri9 s GLU 22 Ca 0.00 -2.26 -0.28 0.00 0.36 0.00 0.00 54.97 52.79 1ri9 s GLU 22 Cb -0.00 -4.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.01 1ri9 s GLU 22 CO 0.00 -1.29 1.97 0.42 -0.54 0.00 0.00 175.26 175.81 1ri9 s ILE 23 N 0.54 3.31 -0.22 -3.70 1.01 -1.26 -4.90 121.20 115.97 1ri9 s ILE 23 Ca 0.14 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 1ri9 s ILE 23 Cb -0.16 -3.48 0.08 0.00 0.01 0.00 0.00 42.46 38.91 1ri9 s ILE 23 CO -0.05 -0.36 0.50 0.00 0.00 0.00 0.00 174.94 175.03 1ri9 s ARG 24 N 6.30 0.46 -0.68 2.79 1.70 -1.26 -5.10 118.95 123.16 1ri9 s ARG 24 Ca 0.84 1.04 -0.26 0.00 -0.47 0.00 0.00 55.73 56.87 1ri9 s ARG 24 Cb -0.23 0.23 -0.01 0.00 -0.57 0.00 0.00 34.95 34.38 1ri9 s ARG 24 CO 0.31 -0.19 1.68 0.54 -1.08 0.00 0.00 175.30 176.56 1ri9 s VAL 25 N 2.01 3.48 -0.20 4.99 0.11 -1.26 -4.56 120.40 124.98 1ri9 s VAL 25 Ca -0.07 0.19 -0.18 0.00 -2.93 0.00 0.00 61.98 59.00 1ri9 s VAL 25 Cb -0.09 -4.27 -0.20 0.00 -1.53 0.00 0.00 36.38 30.29 1ri9 s VAL 25 CO -0.15 -1.22 0.18 0.18 -3.33 0.00 0.00 175.10 170.75 1ri9 n LEU 26 N 11.73 2.04 -3.77 2.54 4.77 -1.21 -4.74 117.00 128.36 1ri9 n LEU 26 Ca 0.17 0.36 -0.29 0.00 -0.03 0.00 0.00 56.01 56.22 1ri9 n LEU 26 Cb 0.51 -0.98 -0.13 0.00 -2.33 0.00 0.00 43.42 40.49 1ri9 n LEU 26 CO 0.70 0.43 -0.20 -0.72 -1.33 0.00 0.00 177.39 176.27 1ri9 s TYR 27 N -2.42 2.44 -0.34 -1.77 1.13 -1.25 -5.07 117.35 110.06 1ri9 s TYR 27 Ca -0.29 -2.74 -0.29 0.00 -1.41 0.00 0.00 57.07 52.35 1ri9 s TYR 27 Cb 0.07 -2.15 -0.01 0.00 -1.10 0.00 0.00 41.96 38.77 1ri9 s TYR 27 CO 0.62 -0.74 1.56 -1.54 -2.51 0.00 0.00 175.55 172.94 1ri9 s SER 28 N -0.11 6.23 0.41 -0.18 1.04 -1.26 -4.06 113.70 115.77 1ri9 s SER 28 Ca 0.20 1.15 -0.05 0.00 0.48 0.00 0.00 55.95 57.73 1ri9 s SER 28 Cb -0.19 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 1ri9 s SER 28 CO -0.04 -1.46 0.69 0.28 0.98 0.00 0.00 173.24 173.69 1ri9 s THR 29 N 5.76 4.95 -0.13 2.02 -1.32 -1.24 -4.78 115.64 120.91 1ri9 s THR 29 Ca 0.69 0.09 -0.05 0.00 -1.21 0.00 0.00 61.69 61.21 1ri9 s THR 29 Cb -0.19 -3.82 -0.04 0.00 -1.51 0.00 0.00 72.50 66.94 1ri9 s THR 29 CO 0.32 -0.66 0.07 -0.75 -2.21 0.00 0.00 174.62 171.39 1ri9 s LYS 30 N -4.33 3.43 0.40 7.08 2.20 -1.26 -3.37 119.74 123.89 1ri9 s LYS 30 Ca 0.46 -0.30 -0.24 0.00 -0.36 0.00 0.00 55.97 55.53 1ri9 s LYS 30 Cb -0.10 -3.05 -0.09 0.00 -1.51 0.00 0.00 37.83 33.08 1ri9 s LYS 30 CO 0.39 0.60 1.09 0.08 -0.36 0.00 0.00 175.35 177.14 1ri9 s VAL 31 N -0.56 3.53 0.68 4.02 1.01 0.66 -3.79 120.40 125.94 1ri9 s VAL 31 Ca 0.11 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.32 1ri9 s VAL 31 Cb -0.12 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.75 1ri9 s VAL 31 CO 0.02 0.03 0.93 0.28 0.00 0.00 0.00 175.10 176.37 1ri9 s THR 32 N -1.58 2.11 -0.18 3.92 -1.32 -1.26 -3.26 115.64 114.07 1ri9 s THR 32 Ca 0.58 -0.74 0.16 0.00 -1.21 0.00 0.00 61.69 60.48 1ri9 s THR 32 Cb -0.25 -2.37 0.08 0.00 -1.51 0.00 0.00 72.50 68.46 1ri9 s THR 32 CO 0.31 0.00 1.44 0.00 -2.21 0.00 0.00 174.62 174.16 1ri9 h THR 33 N -0.30 0.77 -0.40 5.08 1.03 -1.94 1.76 112.91 118.91 1ri9 h THR 33 Ca -0.34 -2.10 0.00 0.00 -0.01 0.00 0.00 66.41 63.97 1ri9 h THR 33 Cb 1.27 2.37 0.00 0.00 -1.07 0.00 0.00 68.15 70.73 1ri9 h THR 33 CO 0.40 0.44 0.00 -0.24 -0.01 0.00 0.00 175.52 176.11 1ri9 n SER 34 N -3.20 3.01 -4.44 0.00 2.88 -1.26 -4.71 113.62 105.89 1ri9 n SER 34 Ca 0.02 -2.25 -0.29 0.00 -1.33 0.00 0.00 58.87 55.02 1ri9 n SER 34 Cb 0.72 -0.44 0.19 0.00 -0.75 0.00 0.00 64.21 63.94 1ri9 n SER 34 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1ri9 s ILE 35 N -1.70 1.89 -0.15 2.46 -1.16 -1.16 -4.82 121.20 116.57 1ri9 s ILE 35 Ca 0.31 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 60.15 1ri9 s ILE 35 Cb 0.19 -2.51 -0.04 0.00 0.61 0.00 0.00 42.46 40.72 1ri9 s ILE 35 CO 0.15 0.00 1.59 0.28 -2.81 0.00 0.00 174.94 174.16 1ri9 s THR 36 N -3.01 3.72 -0.02 4.00 -1.32 -1.26 -4.66 115.64 113.09 1ri9 s THR 36 Ca 0.67 0.84 0.02 0.00 -1.21 0.00 0.00 61.69 62.00 1ri9 s THR 36 Cb -0.16 -3.64 -0.02 0.00 -1.51 0.00 0.00 72.50 67.17 1ri9 s THR 36 CO 0.57 -0.18 0.01 -1.54 -2.21 0.00 0.00 174.62 171.27 1ri9 n SER 37 N 7.76 4.53 -0.11 8.08 3.41 -1.26 -4.44 113.62 131.59 1ri9 n SER 37 Ca 0.18 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.57 1ri9 n SER 37 Cb 0.44 0.64 -0.09 0.00 -0.26 0.00 0.00 64.21 64.94 1ri9 n SER 37 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1ri9 n LYS 38 N -1.99 0.50 -2.06 4.33 2.85 -1.26 -4.93 118.16 115.60 1ri9 n LYS 38 Ca -0.03 0.19 -0.42 0.00 -1.05 0.00 0.00 58.31 57.00 1ri9 n LYS 38 Cb 0.48 -1.35 -0.03 0.00 -0.65 0.00 0.00 35.03 33.48 1ri9 n LYS 38 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1ri9 s LYS 39 N -2.42 4.22 -0.07 -1.58 2.47 -1.26 -4.98 119.74 116.12 1ri9 s LYS 39 Ca -0.31 2.16 -0.03 0.00 -1.56 0.00 0.00 55.97 56.22 1ri9 s LYS 39 Cb 0.11 -3.70 0.04 0.00 -1.46 0.00 0.00 37.83 32.82 1ri9 s LYS 39 CO 0.43 -0.71 0.16 -1.58 0.16 0.00 0.00 175.35 173.80 1ri9 s TRP 40 N 2.95 -0.18 0.27 4.03 0.23 -1.26 -4.86 118.94 120.12 1ri9 s TRP 40 Ca 0.70 0.51 0.11 0.00 -2.03 0.00 0.00 56.10 55.39 1ri9 s TRP 40 Cb -0.35 -0.07 -0.05 0.00 0.03 0.00 0.00 33.47 33.04 1ri9 s TRP 40 CO 0.29 -0.17 -0.15 0.20 0.96 0.00 0.00 176.95 178.08 1ri9 s GLY 41 N 1.15 1.82 0.38 0.98 0.00 -1.26 -4.98 107.32 105.42 1ri9 s GLY 41 Ca -0.09 -1.81 0.09 0.00 0.00 0.00 0.00 44.72 42.91 1ri9 s GLY 41 CO -0.06 -1.89 1.95 -0.84 0.00 0.00 0.00 173.10 172.25 1ri9 h THR 42 N 2.22 0.95 -0.46 0.90 2.02 -2.01 0.32 112.91 116.85 1ri9 h THR 42 Ca -0.41 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1ri9 h THR 42 Cb 1.25 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1ri9 h THR 42 CO 0.60 0.12 0.00 0.54 0.37 0.00 0.00 175.52 177.14 1ri9 n ARG 43 N -4.49 2.36 -3.93 6.66 1.74 -1.26 -4.92 116.66 112.82 1ri9 n ARG 43 Ca 0.12 -2.08 -0.21 0.00 -0.77 0.00 0.00 57.85 54.90 1ri9 n ARG 43 Cb 0.32 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 1ri9 n ARG 43 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ri9 s ASP 44 N -1.28 5.62 0.16 0.55 2.15 0.11 -0.12 116.67 123.86 1ri9 s ASP 44 Ca 0.39 -0.27 -0.02 0.00 0.43 0.00 0.00 52.55 53.08 1ri9 s ASP 44 Cb 0.21 -1.33 -0.05 0.00 -0.30 0.00 0.00 42.92 41.46 1ri9 s ASP 44 CO 0.29 -0.18 0.35 -0.22 -0.17 0.00 0.00 175.17 175.25 1ri9 s LEU 45 N -3.94 4.27 -0.21 -1.34 2.96 -1.17 -4.57 118.68 114.67 1ri9 s LEU 45 Ca 0.37 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 1ri9 s LEU 45 Cb -0.08 -3.17 0.28 0.00 0.50 0.00 0.00 46.19 43.72 1ri9 s LEU 45 CO 0.27 0.03 1.50 1.67 -1.32 0.00 0.00 176.35 178.49 1ri9 n GLN 46 N -0.26 1.58 -0.89 1.98 7.27 -1.26 -4.82 117.38 120.97 1ri9 n GLN 46 Ca -0.04 -1.33 -0.31 0.00 0.07 0.00 0.00 57.00 55.39 1ri9 n GLN 46 Cb 0.53 -1.52 0.15 0.00 2.41 0.00 0.00 30.24 31.80 1ri9 n GLN 46 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1ri9 s VAL 47 N -1.55 2.47 0.24 1.69 -7.23 -1.26 -5.04 120.40 109.72 1ri9 s VAL 47 Ca 0.25 0.15 0.09 0.00 -1.81 0.00 0.00 61.98 60.67 1ri9 s VAL 47 Cb 0.21 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1ri9 s VAL 47 CO 0.04 -0.20 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.05 1ri9 s LYS 48 N -4.73 2.20 -0.05 4.82 3.01 -1.26 -4.67 119.74 119.06 1ri9 s LYS 48 Ca 0.65 -1.38 -0.30 0.00 -1.01 0.00 0.00 55.97 53.93 1ri9 s LYS 48 Cb -0.21 -2.15 -0.03 0.00 -1.01 0.00 0.00 37.83 34.43 1ri9 s LYS 48 CO 0.58 0.39 1.22 -1.25 0.51 0.00 0.00 175.35 176.80 1ri9 s PRO 49 N -3.41 4.34 0.00 -1.68 0.04 -1.26 -2.88 135.00 130.16 1ri9 s PRO 49 Ca 0.29 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1ri9 s PRO 49 Cb -0.07 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1ri9 s PRO 49 CO 0.18 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1ri9 n GLY 50 N 3.40 1.01 3.93 0.56 0.00 0.60 -4.59 105.19 110.10 1ri9 n GLY 50 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1ri9 n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ri9 s GLU 51 N -0.68 2.55 -0.06 1.61 8.01 -1.14 -4.88 118.70 124.10 1ri9 s GLU 51 Ca 0.00 -1.53 0.02 0.00 0.01 0.00 0.00 54.97 53.47 1ri9 s GLU 51 Cb 0.00 -2.47 0.02 0.00 -4.31 0.00 0.00 34.13 27.36 1ri9 s GLU 51 CO 0.00 -0.34 -0.10 -1.54 0.01 0.00 0.00 175.26 173.29 1ri9 s SER 52 N -4.27 1.56 0.14 -0.19 1.04 -1.26 0.24 113.70 110.97 1ri9 s SER 52 Ca 0.50 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 1ri9 s SER 52 Cb -0.05 -0.73 -0.04 0.00 0.10 0.00 0.00 66.02 65.30 1ri9 s SER 52 CO 0.30 0.01 0.07 -0.22 0.98 0.00 0.00 173.24 174.37 1ri9 s LEU 53 N 0.74 1.68 0.10 2.42 2.96 -1.22 -4.94 118.68 120.42 1ri9 s LEU 53 Ca -0.13 -1.24 -0.30 0.00 -0.22 0.00 0.00 54.13 52.24 1ri9 s LEU 53 Cb -0.15 0.31 -0.06 0.00 0.50 0.00 0.00 46.19 46.79 1ri9 s LEU 53 CO 0.03 -0.74 1.06 -1.61 -1.32 0.00 0.00 176.35 173.76 1ri9 s GLU 54 N -4.07 4.58 -0.18 1.98 8.01 -1.19 -3.59 118.70 124.25 1ri9 s GLU 54 Ca 0.26 1.59 -0.08 0.00 0.01 0.00 0.00 54.97 56.76 1ri9 s GLU 54 Cb 0.07 -3.36 -0.04 0.00 -4.31 0.00 0.00 34.13 26.50 1ri9 s GLU 54 CO 0.03 0.02 0.08 0.08 0.01 0.00 0.00 175.26 175.48 1ri9 s VAL 55 N 0.34 4.92 0.00 2.63 1.01 -1.26 -0.23 120.40 127.82 1ri9 s VAL 55 Ca 0.51 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1ri9 s VAL 55 Cb -0.26 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1ri9 s VAL 55 CO 0.31 0.47 0.00 -0.38 0.00 0.00 0.00 175.10 175.50 1ri9 n ILE 56 N 3.43 0.00 -3.47 2.22 5.41 0.42 -3.33 119.36 124.04 1ri9 n ILE 56 Ca -0.17 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.32 1ri9 n ILE 56 Cb 0.52 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.43 1ri9 n ILE 56 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1ri9 s GLN 57 N 2.92 3.53 -0.00 0.38 -1.52 -1.26 -4.69 119.66 119.02 1ri9 s GLN 57 Ca 0.00 -0.25 -0.30 0.00 -1.95 0.00 0.00 55.36 52.86 1ri9 s GLN 57 Cb 0.00 -2.71 -0.06 0.00 -0.22 0.00 0.00 33.01 30.01 1ri9 s GLN 57 CO 0.00 0.24 1.58 0.95 -0.25 0.00 0.00 175.29 177.81 1ri9 s THR 58 N -2.12 3.46 0.00 -0.19 -4.23 -1.25 -3.30 115.64 108.01 1ri9 s THR 58 Ca 0.40 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 1ri9 s THR 58 Cb -0.10 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.25 1ri9 s THR 58 CO 0.32 -0.03 0.77 0.41 -0.54 0.00 0.00 174.62 175.55 1ri9 n THR 59 N 5.03 0.00 0.00 3.99 -1.04 0.14 -4.81 114.28 117.58 1ri9 n THR 59 Ca 0.16 1.27 0.00 0.00 -2.04 0.00 0.00 64.05 63.44 1ri9 n THR 59 Cb 0.42 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 1ri9 n THR 59 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ri9 n ASP 60 N -1.51 0.00 0.02 8.00 2.03 -1.26 -5.02 116.55 118.81 1ri9 n ASP 60 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1ri9 n ASP 60 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1ri9 n ASP 60 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ri9 n ASP 61 N 0.00 0.87 -3.47 1.67 8.00 -1.26 -4.88 116.55 117.48 1ri9 n ASP 61 Ca 0.00 0.12 -0.29 0.00 0.71 0.00 0.00 54.79 55.33 1ri9 n ASP 61 Cb 0.00 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 40.75 1ri9 n ASP 61 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ri9 n THR 62 N -3.44 2.78 -3.65 -3.53 -1.04 -1.26 -5.00 114.28 99.15 1ri9 n THR 62 Ca -0.03 -5.33 -0.08 0.00 -2.04 0.00 0.00 64.05 56.57 1ri9 n THR 62 Cb 0.21 -2.06 -0.08 0.00 -1.82 0.00 0.00 70.33 66.58 1ri9 n THR 62 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1ri9 s LYS 63 N -2.58 0.64 -0.12 -2.82 2.47 -1.26 -2.38 119.74 113.68 1ri9 s LYS 63 Ca 0.39 1.14 0.03 0.00 -1.56 0.00 0.00 55.97 55.97 1ri9 s LYS 63 Cb 0.14 0.12 0.01 0.00 -1.46 0.00 0.00 37.83 36.64 1ri9 s LYS 63 CO -0.00 -0.15 -0.22 0.14 0.16 0.00 0.00 175.35 175.28 1ri9 s VAL 64 N 1.62 1.97 -0.22 4.02 -7.23 -0.91 0.23 120.40 119.88 1ri9 s VAL 64 Ca -0.10 -0.94 -0.21 0.00 -1.81 0.00 0.00 61.98 58.92 1ri9 s VAL 64 Cb -0.06 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1ri9 s VAL 64 CO -0.18 0.54 0.66 -0.22 -0.31 0.00 0.00 175.10 175.58 1ri9 s LEU 65 N 0.67 4.11 0.28 1.32 2.96 -1.21 -1.77 118.68 125.03 1ri9 s LEU 65 Ca -0.11 0.82 -0.03 0.00 -0.22 0.00 0.00 54.13 54.59 1ri9 s LEU 65 Cb -0.16 -2.92 -0.05 0.00 0.50 0.00 0.00 46.19 43.56 1ri9 s LEU 65 CO 0.02 -0.34 0.51 0.00 -1.32 0.00 0.00 176.35 175.22 1ri9 s ARG 67 N -3.60 0.43 0.07 0.00 3.52 0.69 -2.46 118.95 117.60 1ri9 s ARG 67 Ca 0.42 -0.36 0.10 0.00 -0.13 0.00 0.00 55.73 55.76 1ri9 s ARG 67 Cb -0.11 -0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 32.91 1ri9 s ARG 67 CO 0.31 0.08 -0.26 0.54 -0.81 0.00 0.00 175.30 175.16 1ri9 s ASN 68 N -0.59 3.18 0.36 -2.12 4.22 -1.10 -3.17 114.94 115.72 1ri9 s ASN 68 Ca -0.02 -0.63 0.17 0.00 -2.14 0.00 0.00 52.86 50.24 1ri9 s ASN 68 Cb -0.05 -0.26 0.93 0.00 1.28 0.00 0.00 41.25 43.15 1ri9 s ASN 68 CO -0.00 0.23 1.46 -0.08 -2.04 0.00 0.00 177.10 176.67 1ri9 h GLU 69 N 4.54 0.00 0.00 3.55 4.22 -2.02 0.10 114.58 124.98 1ri9 h GLU 69 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.96 1ri9 h GLU 69 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1ri9 h GLU 69 CO 0.42 0.00 0.01 -1.91 -2.18 0.00 0.00 179.01 175.36 1ri9 n GLU 70 N -2.20 0.04 -1.51 1.92 4.07 -1.26 -4.77 120.64 116.93 1ri9 n GLU 70 Ca -0.01 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 1ri9 n GLU 70 Cb 0.26 -1.66 0.00 0.00 -0.06 0.00 0.00 31.44 29.98 1ri9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ri9 n GLY 71 N -1.43 0.50 3.28 8.31 0.00 0.35 -3.44 105.19 112.76 1ri9 n GLY 71 Ca -0.00 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 1ri9 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ri9 s LYS 72 N -3.10 1.35 0.18 1.61 2.20 -1.21 -2.87 119.74 117.91 1ri9 s LYS 72 Ca 0.00 -1.04 0.11 0.00 -0.36 0.00 0.00 55.97 54.68 1ri9 s LYS 72 Cb 0.00 -1.54 -0.04 0.00 -1.51 0.00 0.00 37.83 34.74 1ri9 s LYS 72 CO 0.00 0.38 -0.22 0.71 -0.36 0.00 0.00 175.35 175.86 1ri9 s TYR 73 N -0.91 2.36 0.17 4.03 1.51 -1.26 -2.70 117.35 120.54 1ri9 s TYR 73 Ca 0.08 -0.34 -0.21 0.00 -1.01 0.00 0.00 57.07 55.59 1ri9 s TYR 73 Cb -0.09 -1.18 0.05 0.00 -0.11 0.00 0.00 41.96 40.63 1ri9 s TYR 73 CO 0.03 0.49 0.56 0.20 -1.11 0.00 0.00 175.55 175.72 1ri9 s GLY 74 N -2.63 -0.43 0.13 0.71 0.00 -1.03 -4.91 107.32 99.17 1ri9 s GLY 74 Ca 0.21 0.21 0.03 0.00 0.00 0.00 0.00 44.72 45.17 1ri9 s GLY 74 CO 0.10 -0.01 0.19 -0.19 0.00 0.00 0.00 173.10 173.19 1ri9 s TYR 75 N -3.79 3.32 -0.06 1.90 2.02 0.82 -1.51 117.35 120.05 1ri9 s TYR 75 Ca 0.03 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 1ri9 s TYR 75 Cb -0.01 -1.61 0.02 0.00 -0.40 0.00 0.00 41.96 39.96 1ri9 s TYR 75 CO -0.10 0.53 -0.05 0.08 -1.57 0.00 0.00 175.55 174.44 1ri9 s VAL 76 N -1.67 0.64 0.33 0.71 1.01 -0.73 -3.06 120.40 117.63 1ri9 s VAL 76 Ca 0.32 -0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.90 1ri9 s VAL 76 Cb -0.11 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.50 1ri9 s VAL 76 CO 0.26 0.27 1.05 -0.22 0.00 0.00 0.00 175.10 176.45 1ri9 s LEU 77 N 1.21 4.38 0.63 3.92 0.20 -1.26 -2.13 118.68 125.63 1ri9 s LEU 77 Ca -0.06 2.11 0.34 0.00 0.69 0.00 0.00 54.13 57.20 1ri9 s LEU 77 Cb -0.14 -3.88 1.89 0.00 -0.43 0.00 0.00 46.19 43.63 1ri9 s LEU 77 CO -0.02 -0.24 2.16 0.08 -0.29 0.00 0.00 176.35 178.04 1ri9 h ARG 78 N 3.28 0.00 -0.14 1.98 0.11 -1.84 -2.47 114.38 115.29 1ri9 h ARG 78 Ca -0.47 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.64 1ri9 h ARG 78 Cb 1.21 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.22 1ri9 h ARG 78 CO 0.65 0.00 -0.51 1.03 0.10 0.00 0.00 179.97 181.24 1ri9 h SER 79 N 0.00 -1.61 -3.17 0.08 0.87 -1.90 -3.25 113.55 104.57 1ri9 h SER 79 Ca 0.04 0.20 -0.64 0.00 -1.23 0.00 0.00 61.79 60.16 1ri9 h SER 79 Cb 0.35 0.63 -0.40 0.00 -0.44 0.00 0.00 62.40 62.54 1ri9 h SER 79 CO -0.00 -0.47 -0.46 -0.72 -0.53 0.00 0.00 176.83 174.65 1ri9 s TYR 80 N -5.77 3.65 -0.21 2.24 -0.85 -0.93 -5.01 117.35 110.47 1ri9 s TYR 80 Ca -0.15 -3.28 -0.27 0.00 -0.52 0.00 0.00 57.07 52.85 1ri9 s TYR 80 Cb 0.08 -2.83 0.09 0.00 0.38 0.00 0.00 41.96 39.68 1ri9 s TYR 80 CO 0.62 -0.59 0.83 -1.17 -1.52 0.00 0.00 175.55 173.72 1ri9 s LEU 81 N -1.43 -0.60 1.22 -3.49 1.98 -1.23 -4.35 118.68 110.78 1ri9 s LEU 81 Ca 0.25 0.99 -0.18 0.00 -2.89 0.00 0.00 54.13 52.30 1ri9 s LEU 81 Cb -0.05 2.25 0.25 0.00 0.66 0.00 0.00 46.19 49.30 1ri9 s LEU 81 CO -0.16 -0.32 0.55 0.00 -1.89 0.00 0.00 176.35 174.53 1ri9 n ALA 82 N 1.88 -3.40 0.00 5.97 0.00 -1.25 -4.96 120.51 118.75 1ri9 n ALA 82 Ca -0.14 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1ri9 n ALA 82 Cb 0.56 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1ri9 n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25